1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine

C17H25FN2O — CID 45240052

IUPAC1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine
SMILESFc1ccccc1CN1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C17H25FN2O/c18-17-6-2-1-4-14(17)12-20-9-3-5-16(13-20)19-15-7-10-21-11-8-15/h1-2,4,6,15-16,19H,3,5,7-13H2
InChIKeyHAKOHSZLEZVPKB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.56
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine

1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine (PubChem CID 45240052) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine
PubChem CID45240052
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine
SMILESFc1ccccc1CN1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C17H25FN2O/c18-17-6-2-1-4-14(17)12-20-9-3-5-16(13-20)19-15-7-10-21-11-8-15/h1-2,4,6,15-16,19H,3,5,7-13H2
InChIKeyHAKOHSZLEZVPKB-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine (CID 45240052) is 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine is Fc1ccccc1CN1CCCC(NC2CCOCC2)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine?
The InChIKey is HAKOHSZLEZVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-17-6-2-1-4-14(17)12-20-9-3-5-16(13-20)19-15-7-10-21-11-8-15/h1-2,4,6,15-16,19H,3,5,7-13H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine?
1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine has a molecular weight of 292.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)piperidin-3-amine is sourced from PubChem (CID 45240052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).